General Information of the Compound
| Compound ID |
CP0881577
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| Compound Name |
3-(3-Methoxyphenyl)-1-morpholino-5-phenyl-8,9,10,10atetrahydropyrimido[5,4-e]pyrrolo[1,2-c]pyrimidine-6(5H)-thione
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| Structure |
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| Formula |
C26H27N5O2S
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| Molecular Weight |
473.602
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| Canonical SMILES |
COc1cccc(-c2nc(N3CCOCC3)c3c(n2)N(c2ccccc2)C(=S)N2CCCC32)c1
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| InChI |
InChI=1S/C26H27N5O2S/c1-32-20-10-5-7-18(17-20)23-27-24(29-13-15-33-16-14-29)22-21-11-6-12-30(21)26(34)31(25(22)28-23)19-8-3-2-4-9-19/h2-5,7-10,17,21H,6,11-16H2,1H3
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| InChIKey |
UUBFQGVOWRHYTF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01368, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT00999, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Protein ID: PT02170, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000084 | SK-OV-3 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 60460 nM
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TI
LI
LO
TS
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